3-(4-chlorophenyl)-4-hexyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-chlorophenyl)-4-hexyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-4-hexyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-4-hexyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-4-hexyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-4-hexyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole Formula: C23H25ClN4O4S MolecularWeight: 488.987

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN4O4S/c1-2-3-4-5-10-27-22(16-6-8-19(24)9-7-16)25-26-23(27)33-14-18-12-20(28(29)30)11-17-13-31-15-32-21(17)18/h6-9,11-12H,2-5,10,13-15H2,1H3